Geometry & MOs

Info

ID:

149323

PubChem CID:

53788995

Reduced:

N2Cl3C11H13 (1)

Stoich.:

A2B3C11D13 (1)

Weight, g/mol:

772.289048

ΔHf, kcal/mol:

18.4

Dipole, Da:

2.22

IP(EA), eV:

 -9.43(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[amino-[4-[4-[(2S)-1-[3-[(2,4-dimethylquinolin-8-yl)oxymethyl]-2,4-dimethoxyphenyl]sulfonylpyrrolidine-2-carbonyl]piperazine-1-carbonyl]phenyl]methylidene]amino] acetate

Drug info:

PubChemData

Smile

CC(C)(C)C(N=NC1=C(C=CC(=C1)Cl)Cl)Cl

DOS

IR

Vibrations